2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H31N3O4/c1-17-6-5-7-18(12-17)15-25-8-10-26(11-9-25)16-22(27)24-19-13-20(28-2)23(30-4)21(14-19)29-3/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,24,27)/p+1